2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C16H24N4O2S — CID 70732164

IUPAC2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESCc1nc(CN2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cs1
InChIInChI=1S/C16H24N4O2S/c1-12-18-13(10-23-12)8-19-6-4-16(5-7-19)3-2-15(22)20(11-16)9-14(17)21/h10H,2-9,11H2,1H3,(H2,17,21)
InChIKeyYOYHQJLCWICCPE-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.14
Rot. Bonds4

About 2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 70732164) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound Name2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
PubChem CID70732164
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESCc1nc(CN2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cs1
InChIInChI=1S/C16H24N4O2S/c1-12-18-13(10-23-12)8-19-6-4-16(5-7-19)3-2-15(22)20(11-16)9-14(17)21/h10H,2-9,11H2,1H3,(H2,17,21)
InChIKeyYOYHQJLCWICCPE-UHFFFAOYSA-N
XLogP1.14
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of 2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 70732164) is 2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for 2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for 2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is Cc1nc(CN2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cs1.
What is the InChIKey of 2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is YOYHQJLCWICCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12-18-13(10-23-12)8-19-6-4-16(5-7-19)3-2-15(22)20(11-16)9-14(17)21/h10H,2-9,11H2,1H3,(H2,17,21).
What are the key properties of 2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 70732164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).